Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H19ClN4O2 |
Molecular Weight | 394.854 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)C1=CC(=CC=C1)C2=C3C(=O)N(NC3=CC(=O)N2C)C4=CC=CC=C4Cl
InChI
InChIKey=RGYQPQARIQKJKH-UHFFFAOYSA-N
InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
Molecular Formula | C21H19ClN4O2 |
Molecular Weight | 394.854 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionCurator's Comment: Description was created based on several sources, including
http://www.centerwatch.com/news-online/2015/11/11/genkyotexs-gkt137831-granted-orphan-drug-in-the-u-s-and-e-u/
http://www.generon.co.uk/amine-oxides-1830/gkt-137831-7009144.html
Curator's Comment: Description was created based on several sources, including
http://www.centerwatch.com/news-online/2015/11/11/genkyotexs-gkt137831-granted-orphan-drug-in-the-u-s-and-e-u/
http://www.generon.co.uk/amine-oxides-1830/gkt-137831-7009144.html
GKT137831, a novel pyrazolopyridinedione derivative, a dual inhibitor of NADPH oxidases (NOX) 1 and NOX4, reduces inflammation in the ischemic retina by dampening the pro-inflammatory phenotype of retinal immune cells as well as macroglial Müller cells and neurons. In patients with diabetic kidney disease, GKT137831 demonstrated an excellent safety profile and statistically significant reduction in both liver enzyme and inflammatory marker levels in multiple phase I and phase II clinical studies. GKT137831 may be of significant benefit for patients with systemic sclerosis as studies in experimental models show that the compound may reduce the abnormal growth of connective tissue (fibrosis) and improve survival. GKT137831 was granted Orphan Drug designation for the treatment of systemic sclerosis from the FDA and the EMA. GKT-137831 acts as a Nox4 and Nox1 inhibitor ((Ki 100–150 nM). GKT-137831 attenuates hypoxia-induced pulmonary vascular cell proliferation. Also a potent inhibitor of fibrosis and hepatocyte apoptosis.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1287628 |
110.0 nM [Ki] | ||
Target ID: CHEMBL1250375 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22806357 |
140.0 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02010242
1 capsule of 100 mg twice a day for the first 6 weeks of treatment, and 2 capsules of 100 mg twice a day for next 6 weeks of treatment
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26219952
GKT137831 (5 uM) reduced the hypoxia-induced increase in ROS levels and protein expression of various inflammatory mediators in rat retinal microglia, Müller cells, and ganglion cells.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:46:28 UTC 2023
by
admin
on
Sat Dec 16 01:46:28 UTC 2023
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Record UNII |
45II35329V
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Record Status |
Validated (UNII)
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Record Version |
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EU-Orphan Drug |
EU/3/15/1559
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FDA ORPHAN DRUG |
493115
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FDA ORPHAN DRUG |
316110
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admin on Sat Dec 16 01:46:28 UTC 2023 , Edited by admin on Sat Dec 16 01:46:28 UTC 2023
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FDA ORPHAN DRUG |
773220
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DTXSID30153432
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100000181570
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GKT-831
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SUB195304
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C166721
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45II35329V
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1218942-37-0
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